Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.71 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.71 |
| ▸ | APAF1 | O14727 | 1/20 | 0.71 |
| ▸ | NPC1 | O15118 | 1/20 | 0.71 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 1/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.71 |
| ▸ | RAB9A | P51151 | 1/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.71 |
| ▸ | FDPS | P14324 | 16/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Iodide SCHEMBL8913347 | 0.94 | MEN1 (0.66) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Iodide SCHEMBL8915790 | 0.94 | MEN1 (0.66) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Iodide SCHEMBL1219508 | 0.87 | MEN1 (0.93) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Iodide SCHEMBL2125637 | 0.87 | MEN1 (0.93) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Iodide SCHEMBL5091915 | 0.87 | MEN1 (0.93) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Iodide SCHEMBL926313 | 0.87 | MEN1 (0.93) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Iodide SCHEMBL1735056 | 0.87 | MEN1 (0.93) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Iodide SCHEMBL5088502 | 0.87 | MEN1 (0.93) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Iodide SCHEMBL5085005 | 0.87 | MEN1 (0.93) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Iodide SCHEMBL1758281 | 0.87 | MEN1 (0.93) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5614548-A | TREATING TUMORS AND HIV INFECTION, PROTEIN KINASE C INHIBITORS | WAKE FOREST UNIVERSITY (US) | 1997-03-25 | — | — | US | disclosed |
| WO-1990004918-A2 | QUATERNARY AMINE CONTAINING ETHER OR ESTER LIPID DERIVATIVES AND THERAPEUTIC COMPOSITIONS | WAKE FOREST UNIVERSITY (US) | 1990-05-17 | — | — | WO | disclosed |